Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 1A2
LigandBDBM50262570
Substrate/Competitorn/a
Meas. Tech.ChEBML_1696934
IC50 800±n/a nM
Citation Felts, ASRodriguez, ALMorrison, RDBollinger, KAVenable, DFBlobaum, ALByers, FWThompson Gray, ADaniels, JSNiswender, CMJones, CKConn, PJLindsley, CWEmmitte, KA Discovery of imidazo[1,2-a]-, [1,2,4]triazolo[4,3-a]-, and [1,2,4]triazolo[1,5-a]pyridine-8-carboxamide negative allosteric modulators of metabotropic glutamate receptor subtype 5. Bioorg Med Chem Lett27:4858-4866 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1A2
Name:Cytochrome P450 1A2
Synonyms:CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:Enzyme
Mol. Mass.:58423.38
Organism:Homo sapiens (Human)
Description:P05177
Residue:516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50262570
n/a
NameBDBM50262570
Synonyms:CHEMBL4080316
TypeSmall organic molecule
Emp. Form.C19H14FN5O2
Mol. Mass.363.3452
SMILESCc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: